SCHEMBL8099045

SCHEMBL8099045

CNC(=S)Nc1ccc(-c2nc(N)cc(C3(S(=O)(=O)c4ccccc4)CC3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
KDM4E B2RXH2 3/20 0.39
HTT P42858 2/20 0.39
PIK3CD O00329 3/20 0.38
PIK3CA P42336 3/20 0.38
PIK3CB P42338 1/20 0.38
MTOR P42345 1/20 0.38
PIK3CG P48736 1/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 1/20 0.36
PTPN7 P35236 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
HPGD P15428 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8083334 0.91 CA1 (0.41) PIK3CDPIK3CAPIK3CBMTORPIK3CG
SCHEMBL8090246 0.89 PIK3CA (0.42) MAPTKDM4EHTTPIK3CDPIK3CA
SCHEMBL8084155 0.89 MAPT (0.39) MAPTKDM4EHTTPIK3CDPIK3CA
SCHEMBL8084166 0.88 ALDH1A1 (0.45) MAPTKDM4EHTTPIK3CDPIK3CA
SCHEMBL8092498 0.87 PIK3CD (0.49) MAPTKDM4EHTTPIK3CDPIK3CA
SCHEMBL8100131 0.87 PIK3CD (0.42) MAPTKDM4EHTTPIK3CDPIK3CA
SCHEMBL8091293 0.86 MAPT (0.42) MAPTKDM4EHTTPIK3CAMTOR
SCHEMBL8096342 0.86 PIK3CA (0.41) MAPTKDM4EHTTPIK3CDPIK3CA
SCHEMBL8092307 0.86 PIK3CA (0.39) MAPTKDM4EHTTPIK3CDPIK3CA
SCHEMBL8092502 0.86 PIK3CD (0.45) MAPTKDM4EPIK3CDPIK3CAPIK3CB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009007748-A2 TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES ASTRAZENECA AB (SE) 2009-01-15 WO disclosed